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3693-08-1,MFCD11041283
Catalog No.:AA00CL87

3693-08-1 | 1,5-Dihydro-benzo[e][1,4]oxazepin-2-one

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1g
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$172.00   $120.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CL87
Chemical Name:
1,5-Dihydro-benzo[e][1,4]oxazepin-2-one
CAS Number:
3693-08-1
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD11041283
SMILES:
O=C1COCc2c(N1)cccc2
Properties
Computed Properties
 
Complexity:
181  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
0.9  

Downstream Synthesis Route

[1]TESTA;FONTANELLA[Farmaco,EdizioneScientifica,1965,vol.20,p.323-335]

[1]CurrentPatentAssignee:NEUROCRINEBIOSCIENCESINC-WO2008/124614,2008,A1Locationinpatent:Page/Pagecolumn42-43

[2]TESTA;FONTANELLA[Farmaco,EdizioneScientifica,1965,vol.20,p.323-335]

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2002/173503,2002,A1

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2004/186094,2004,A1

[5]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US6849619,2005,B2

[6]CurrentPatentAssignee:COCRYSTALPHARMA,INC.-WO2021/188620,2021,A1Locationinpatent:Paragraph00215;00446-00447

[1]TESTA;FONTANELLA[Farmaco,EdizioneScientifica,1965,vol.20,p.323-335]

[1]TESTA;FONTANELLA[Farmaco,EdizioneScientifica,1965,vol.20,p.323-335]

[1]TESTA;FONTANELLA[Farmaco,EdizioneScientifica,1965,vol.20,p.323-335]

Literature

Title: Towards discovering dual functional inhibitors against both wild type and K103N mutant HIV-1 reverse transcriptases: molecular docking and QSAR studies on 4,1-benzoxazepinone analogues.

Journal: Journal of computer-aided molecular design 20060501

Title: 4,1-Benzoxazepinone analogues of efavirenz (Sustiva) as HIV-1 reverse transcriptase inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20010604

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Tags:3693-08-1 Molecular Formula|3693-08-1 MDL|3693-08-1 SMILES|3693-08-1 1,5-Dihydro-benzo[e][1,4]oxazepin-2-one